2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]propanethioamide

Systemtic Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]propanethioamide Openeye Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]propanethioamide CAS Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanethioamide IUPAC Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanethioamide Traditional Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-propargyloxy-phenyl)ethyl]thiopropionamide Formula: C21H22BrNO2S MolecularWeight: 432.37388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC

InChI

InChI=1S/C21H22BrNO2S/c1-4-13-25-19-10-5-16(14-20(19)24-3)11-12-23-21(26)15(2)17-6-8-18(22)9-7-17/h1,5-10,14-15H,11-13H2,2-3H3,(H,23,26)